3-Chloro-2-hydroxypropylstearyldimethylammonium chloride
TL;DR: 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride (CAS 3001-63-6) is a chemical compound with molecular formula C23H49Cl2NO and molecular weight 425.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-dimethyl-octadecylazanium chloride
Also Known As: quab426, dimethyloctadecylammoniumchloride, (3-Chloro-2-hydroxypropyl)dimethyloctadecylammonium chloride, 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride, Ammonium, (2-hydroxy-3-chloropropyl)octadecyldimethyl-, chloride
| Molecular Formula | C23H49Cl2NO |
|---|---|
| Molecular Weight | 425.32 g/mol |
| LogP | 3.93 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 425.31912 |
| Heavy Atoms | 27 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 3001-63-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CCl)O.[Cl-] |
| InChIKey | QIKIJFUVHGOQOK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-hydroxypropylstearyldimethylammonium chloride (CAS 3001-63-6), with molecular formula C23H49Cl2NO and molecular weight 425.32 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-octadecylazanium chloride.
Chemical Property Profile of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride
Property Insights of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride
The XLogP value of 3.93 indicates that 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride?
The CAS number of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride is 3001-63-6.
What is the molecular formula of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride?
The molecular formula of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride is C23H49Cl2NO.
What is the molecular weight of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride?
The molecular weight of 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride is 425.32 g/mol.
Where can I buy 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride?
You can request a quote for 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-hydroxypropylstearyldimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.